2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium

C20H26N5+ — CID 11782623

IUPAC2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
SMILESCCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1nn[nH]n1
InChIInChI=1S/C20H26N5/c1-3-5-12-18-14-17(16-10-8-7-9-11-16)15-19(13-6-4-2)25(18)20-21-23-24-22-20/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,21,22,23,24)/q+1
InChIKeyIZJBTFZQZBQKSH-UHFFFAOYSA-N
MW336.46 g/mol
LogP3.83
Rot. Bonds8

About 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium

2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium (PubChem CID 11782623) has the molecular formula C20H26N5+ and a molecular weight of 336.46 g/mol. Its IUPAC name is 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium.

Molecular Properties

Compound Name2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
PubChem CID11782623
Molecular FormulaC20H26N5+
Molecular Weight336.46 g/mol
Exact Mass336.22
IUPAC Name2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
SMILESCCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1nn[nH]n1
InChIInChI=1S/C20H26N5/c1-3-5-12-18-14-17(16-10-8-7-9-11-16)15-19(13-6-4-2)25(18)20-21-23-24-22-20/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,21,22,23,24)/q+1
InChIKeyIZJBTFZQZBQKSH-UHFFFAOYSA-N
XLogP3.83
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2,4-diphenyl-6-propyl-1-(2H-tetrazol-5-yl)pyridin-1-ium
CID 10914805
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-(2,6-diethylphenyl)-2,6-diethyl-4-phenylpyridin-1-ium
CID 177325143
5-[[4-(2,6-dibutyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
CID 11262485
1,1'-biphenyl;hexadecane
CID 173308514
2-[4-(2-butyl-4,6-diphenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10650956
4-butyl-3-chloro-6-phenylpyridazine
CID 140576046
5-(4-butyl-2,5-diphenylimidazol-1-yl)-2H-tetrazole
CID 67848996
6-butyl-3-fluoro-2,4-diphenylpyridin-1-ium-1-amine
CID 151605944
1-butyl-4-phenylbenzene;ethane
CID 143743409
4-butyl-6-fluoro-2-phenylquinoline
CID 141464456
pentane-1-thiol;3-phenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174451877

Frequently Asked Questions

What is the IUPAC name of 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The IUPAC name of 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium (CID 11782623) is 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium.
What is the SMILES notation for 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The canonical SMILES for 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium is CCCCc1cc(-c2ccccc2)cc(CCCC)[n+]1-c1nn[nH]n1.
What is the InChIKey of 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
The InChIKey is IZJBTFZQZBQKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N5/c1-3-5-12-18-14-17(16-10-8-7-9-11-16)15-19(13-6-4-2)25(18)20-21-23-24-22-20/h7-11,14-15H,3-6,12-13H2,1-2H3,(H,21,22,23,24)/q+1.
What are the key properties of 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium?
2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium has a molecular weight of 336.46 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibutyl-4-phenyl-1-(2H-tetrazol-5-yl)pyridin-1-ium is sourced from PubChem (CID 11782623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).